1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol

C14H13ClFNO — CID 114854587

IUPAC1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
SMILESOC(Cc1ccncc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H13ClFNO/c15-12-2-1-11(14(16)9-12)8-13(18)7-10-3-5-17-6-4-10/h1-6,9,13,18H,7-8H2
InChIKeyQHLIQCRRHWPANG-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol

1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol (PubChem CID 114854587) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
PubChem CID114854587
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
SMILESOC(Cc1ccncc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H13ClFNO/c15-12-2-1-11(14(16)9-12)8-13(18)7-10-3-5-17-6-4-10/h1-6,9,13,18H,7-8H2
InChIKeyQHLIQCRRHWPANG-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(4-chloro-2-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 114854652
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol (CID 114854587) is 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol is OC(Cc1ccncc1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The InChIKey is QHLIQCRRHWPANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-12-2-1-11(14(16)9-12)8-13(18)7-10-3-5-17-6-4-10/h1-6,9,13,18H,7-8H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol?
1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol has a molecular weight of 265.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 114854587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).